1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine

C17H20FN — CID 114347745

IUPAC1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
SMILESCc1cc(F)ccc1CC(N)CCc1ccccc1
InChIInChI=1S/C17H20FN/c1-13-11-16(18)9-8-15(13)12-17(19)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,17H,7,10,12,19H2,1H3
InChIKeyURIBZODRLFAXQO-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine

1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine (PubChem CID 114347745) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
PubChem CID114347745
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
SMILESCc1cc(F)ccc1CC(N)CCc1ccccc1
InChIInChI=1S/C17H20FN/c1-13-11-16(18)9-8-15(13)12-17(19)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,17H,7,10,12,19H2,1H3
InChIKeyURIBZODRLFAXQO-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
CID 64559852
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(2-chloro-4-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 105133510
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
1,4-diphenylbutan-2-amine
CID 60820174
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine (CID 114347745) is 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine is Cc1cc(F)ccc1CC(N)CCc1ccccc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine?
The InChIKey is URIBZODRLFAXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13-11-16(18)9-8-15(13)12-17(19)10-7-14-5-3-2-4-6-14/h2-6,8-9,11,17H,7,10,12,19H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine?
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 114347745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).